Adsorption of CO on the rumpled MgO(100), MgO(100):Ni, and MgO(100):Cr surfaces: A density functional approach

International Journal of Quantum Chemistry

Volumn 102, Issue 5 SPEC. ISS., 2005, Pages 820-828

  Quintanar, Carlos ^a,b   Caballero, Reyna ^c   Castano V M ^a  

^a CENTRO DE FÍSICA APLICADA Y TECNOLOGÍA AVANZADA   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c Ciudad Universitaria   (Mexico)

Author keywords

Carbon monoxide; Clusters; Density functional theory; Magnesium oxides; Physical adsorption

Indexed keywords

CLUSTERS; DENSITY FUNCTIONAL THEORY; PHYSICAL ADSORPTION; SURFACE RUMPLING;

ADSORPTION; CARBON MONOXIDE; IMPURITIES; IONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES;

MAGNESIA;

EID: 17744389429     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20462     Document Type: Article

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